methyl (2S,4R)-1-[6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(2,2-diphenylethylamino)-2-purinyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C30H34N6O7 MolecularWeight: 590.62696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C30H34N6O7/c1-42-29(41)21-12-19(38)14-35(21)30-33-26(31-13-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18)23-27(34-30)36(16-32-23)28-25(40)24(39)22(15-37)43-28/h2-11,16,19-22,24-25,28,37-40H,12-15H2,1H3,(H,31,33,34)/t19-,21+,22-,24-,25-,28-/m1/s1